SCHEMBL7187224

SCHEMBL7187224

CN[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.67
SLC6A3 Q01959 18/20 0.67
SLC6A2 P23975 11/20 0.67
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
HTR2A P28223 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2739172 1.00 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL7184970 1.00 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2314 0.98 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL7170390 0.86 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL8167375 0.85 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL2644 0.84 CYP3A4 (0.58) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL9117724 0.84 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL14089440 0.82 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL14089422 0.82 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL7550873 0.81 SLC6A3 (0.49) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130355-A1 Therapeutic agents KNOLL GMBH (DE) 2003-07-10 US claimed
US-6127424-A N-METHYL-1-(1-(4-CHLOROPHENYL)CYCLOBUTYL)-3-METHYLBUTYLAMINE OR A PHARMACEUTICALLY SUITABLE SALT AS AN EXAMPLE; BIOAVAILABILITY; SIDE EFFECT REDUCTION KNOLL AKTIENGESESLLSCHAFT (DE) 2000-10-03 US claimed
US-6046242-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF CHLOROBENZENE SUBSTITUTED CYCLOBUTYLALKYLAMINE COMPOUND TO TREAT URINARY INCONTINENCE BASF AKTIENGESELLSCHAFT (DE) 2000-04-04 US claimed
US-20080214870-A1 Method of Preparing Amine Stereoisomers HAN ZHENGXU 2008-09-04 US disclosed
US-20080214870-A1 Method of Preparing Amine Stereoisomers HAN ZHENGXU 2008-09-04 US disclosed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 US disclosed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 US disclosed
US-20030130355-A1 Therapeutic agents KNOLL GMBH (DE) 2003-07-10 US disclosed
EP-1189638-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-27 EP disclosed
EP-1187606-A1 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND ORLISTAT KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1133288-A1 THE USE OF ARYL-SUBSTITUTED CYCLOBUTYLALKYLAMINES FOR TREATING URINARY INCONTINENCE KNOLL AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2001000205-A1 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND ORLISTAT KNOLL AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000187-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-6127424-A N-METHYL-1-(1-(4-CHLOROPHENYL)CYCLOBUTYL)-3-METHYLBUTYLAMINE OR A PHARMACEUTICALLY SUITABLE SALT AS AN EXAMPLE; BIOAVAILABILITY; SIDE EFFECT REDUCTION KNOLL AKTIENGESESLLSCHAFT (DE) 2000-10-03 US disclosed
WO-2000032182-A1 THE USE OF ARYL-SUBSTITUTED CYCLOBUTYLALKYLAMINES FOR TREATING URINARY INCONTINENCE KNOLL AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed
US-6046242-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF CHLOROBENZENE SUBSTITUTED CYCLOBUTYLALKYLAMINE COMPOUND TO TREAT URINARY INCONTINENCE BASF AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214870-A1 Method of Preparing Amine Stereoisomers SRM, PNMT, SMS SLC6A4 50/4885SLC6A3 150/4885SLC6A2 72/4885
US-20030130355-A1 Therapeutic agents TPH1, SLC6A2, HTR1A SLC6A4 4/4885SLC6A3 20/4885SLC6A2 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.